Test: add unit test for charge.cpp#2527
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hongriTianqi merged 14 commits intodeepmodeling:developfrom May 29, 2023
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dyzheng
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May 27, 2023
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Fix #2526
Split Charge::init(), Charge::set_rho_core(), Charge::non_linear_core_correction, Charge::rho_mpi() from the main charge.cpp file to facilitate unit test for other simpler functions.
add ut for constructor, destructor, set_rhopw(), allocate(), destroy(), sum_rho(), renormalize_rho(), check_ne(), save_rho_before_sum_band(), and init_final_scf().